2-azanyl-6-methoxy-7-methyl-5-oxidanylidene-4-(4-phenylmethoxyphenyl)-4H-oxepine-3-carbonitrile

Systemtic Name: 2-azanyl-6-methoxy-7-methyl-5-oxidanylidene-4-(4-phenylmethoxyphenyl)-4H-oxepine-3-carbonitrile Openeye Name: 2-amino-4-(4-benzyloxyphenyl)-6-methoxy-7-methyl-5-oxo-4H-oxepine-3-carbonitrile CAS Name: 2-amino-6-methoxy-7-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-4H-oxepin-3-carbonitrile IUPAC Name: 2-amino-6-methoxy-7-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-4H-oxepine-3-carbonitrile Traditional Name: 2-amino-4-(4-benzoxyphenyl)-5-keto-6-methoxy-7-methyl-4H-oxepin-3-carbonitrile Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(C(=C(O1)N)C#N)C2=CC=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

CC1=C(C(=O)C(C(=C(O1)N)C#N)C2=CC=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H20N2O4/c1-14-21(26-2)20(25)19(18(12-23)22(24)28-14)16-8-10-17(11-9-16)27-13-15-6-4-3-5-7-15/h3-11,19H,13,24H2,1-2H3